CHEBI:66725 - Panduratin A

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ChEBI Name Panduratin A
ChEBI ID CHEBI:66725
Definition A natural product found in Kaempferia pandurata.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H30O4
Net Charge 0
Average Mass 406.51400
Monoisotopic Mass 406.21441
InChI InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
InChIKey LYDZCXVWCFJAKQ-ZFGGDYGUSA-N
SMILES COc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c(O)c1
Metabolite of Species Details
Kaempferia pandurata (IPNI:797186-1) Found in rhizome (BTO:0001181). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Panduratin A (CHEBI:66725) has role metabolite (CHEBI:25212)
Panduratin A (CHEBI:66725) is a diarylheptanoid (CHEBI:78802)
Synonym Source
(2,6-dihydroxy-4-methoxyphenyl)[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-en-1-yl)-6-phenylcyclohex-3-en-1-yl]methanone ChEBI
Citation Waiting for Citations Type Source
15930750 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:carboxylic ester(CHEBI:33308); HFP:phloroglucinol(CHEBI:16204); ISA:monoterpenoid(CHEBI:25409); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:acetophenones(CHEBI:22187); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:resorcinols(CHEBI:33572); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);